CID 121553352

Methyl 2-(azidomethyl)-1,3-oxazole-4-carboxylate

Structural Information

Molecular Formula
C6H6N4O3
SMILES
COC(=O)C1=COC(=N1)CN=[N+]=[N-]
InChI
InChI=1S/C6H6N4O3/c1-12-6(11)4-3-13-5(9-4)2-8-10-7/h3H,2H2,1H3
InChIKey
UPVBKNJWBCHLPE-UHFFFAOYSA-N
Compound name
methyl 2-(azidomethyl)-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.04399 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.051266 134.7
[M+Na]+ 205.033208 142.5
[M-H]- 181.036714 140.8
[M+NH4]+ 200.077813 153.6
[M+K]+ 221.007148 139.3
[M+H-H2O]+ 165.041250 131.8
[M+HCOO]- 227.042191 165.3
[M+CH3COO]- 241.057841 181.3
[M+Na-2H]- 203.018656 145.3
[M]+ 182.04344142 136.1
[M]- 182.04453858 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.